Crystallography Open Database

Information card for entry 4308138

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Coordinates	4308138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H40 Cl13 N6 O2 Ru2
Calculated formula	C49 H40 Cl13 N6 O2 Ru2
SMILES	[Ru]1234([Ru](N(C=[N]1c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)([N](=CN3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[O]=C(O4)CC=C)Cl.CCCCCC
Title of publication	Olefin Metathesis as an Inorganic Synthetic Tool: Cross and Ring Closing Metathesis Reactions of Diruthenium-Bound ω-Alkene-α-carboxylates
Authors of publication	Wei-Zhong Chen; John D. Protasiewicz; Stephen A. Davis; James B. Updegraff; Li-Qing Ma; Phillip E. Fanwick; Tong Ren
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3775 - 3782
a	16.2968 ± 0.0012 Å
b	16.4126 ± 0.0012 Å
c	23.0668 ± 0.0017 Å
α	78.848 ± 0.002°
β	70.724 ± 0.002°
γ	74.988 ± 0.003°
Cell volume	5585.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179119 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81.	4308138.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308138.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308138.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308138.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308138.cif